methyl 1-[(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)methyl]cyclohexane-1-carboxylate

C17H25N3O3 — CID 75520661

IUPACmethyl 1-[(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)methyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(CNC(=O)c2cnn3c2CCCC3)CCCCC1
InChIInChI=1S/C17H25N3O3/c1-23-16(22)17(8-4-2-5-9-17)12-18-15(21)13-11-19-20-10-6-3-7-14(13)20/h11H,2-10,12H2,1H3,(H,18,21)
InChIKeyZGJYRINWYJRSDB-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.07
Rot. Bonds4

About methyl 1-[(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)methyl]cyclohexane-1-carboxylate

methyl 1-[(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)methyl]cyclohexane-1-carboxylate (PubChem CID 75520661) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is methyl 1-[(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)methyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)methyl]cyclohexane-1-carboxylate
PubChem CID75520661
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Namemethyl 1-[(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)methyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(CNC(=O)c2cnn3c2CCCC3)CCCCC1
InChIInChI=1S/C17H25N3O3/c1-23-16(22)17(8-4-2-5-9-17)12-18-15(21)13-11-19-20-10-6-3-7-14(13)20/h11H,2-10,12H2,1H3,(H,18,21)
InChIKeyZGJYRINWYJRSDB-UHFFFAOYSA-N
XLogP2.07
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 1-[(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)methyl]cyclohexane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)methyl]cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-[(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)methyl]cyclohexane-1-carboxylate (CID 75520661) is methyl 1-[(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)methyl]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-[(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)methyl]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-[(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)methyl]cyclohexane-1-carboxylate is COC(=O)C1(CNC(=O)c2cnn3c2CCCC3)CCCCC1.
What is the InChIKey of methyl 1-[(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)methyl]cyclohexane-1-carboxylate?
The InChIKey is ZGJYRINWYJRSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-23-16(22)17(8-4-2-5-9-17)12-18-15(21)13-11-19-20-10-6-3-7-14(13)20/h11H,2-10,12H2,1H3,(H,18,21).
What are the key properties of methyl 1-[(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)methyl]cyclohexane-1-carboxylate?
methyl 1-[(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)methyl]cyclohexane-1-carboxylate has a molecular weight of 319.41 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)methyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 75520661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).